5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide

C26H32N4O2 — CID 4985747

IUPAC5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C26H32N4O2/c1-3-4-11-22-25(21-14-13-19-9-5-6-10-20(19)28-21)24(26(27)32)18(2)30(22)17-8-16-29-15-7-12-23(29)31/h5-6,9-10,13-14H,3-4,7-8,11-12,15-17H2,1-2H3,(H2,27,32)
InChIKeyGOEXJTIHGYWSIV-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.47
Rot. Bonds9

About 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide

5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide (PubChem CID 4985747) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
PubChem CID4985747
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C26H32N4O2/c1-3-4-11-22-25(21-14-13-19-9-5-6-10-20(19)28-21)24(26(27)32)18(2)30(22)17-8-16-29-15-7-12-23(29)31/h5-6,9-10,13-14H,3-4,7-8,11-12,15-17H2,1-2H3,(H2,27,32)
InChIKeyGOEXJTIHGYWSIV-UHFFFAOYSA-N
XLogP4.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3742781
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3564068
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3776382
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3859314
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide (CID 4985747) is 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide is CCCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCCN1CCCC1=O.
What is the InChIKey of 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide?
The InChIKey is GOEXJTIHGYWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-4-11-22-25(21-14-13-19-9-5-6-10-20(19)28-21)24(26(27)32)18(2)30(22)17-8-16-29-15-7-12-23(29)31/h5-6,9-10,13-14H,3-4,7-8,11-12,15-17H2,1-2H3,(H2,27,32).
What are the key properties of 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide?
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 4985747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).